5MA

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C1	C	doub	1.39Å	1.41Å	Aromatic
C	CL1	sing	1.74Å	1.69Å
C	C5	sing	1.38Å	1.36Å	Aromatic
C14	N	sing	1.47Å	1.44Å
C3	N	sing	1.37Å	1.39Å	Aromatic
N	N12	sing	1.40Å	1.36Å	Aromatic
C5	O	sing	1.36Å	1.38Å
O	C7	sing	1.36Å	1.41Å
C2	C1	sing	1.38Å	1.40Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C2	C3	doub	1.39Å	1.37Å	Aromatic
C2	H2	sing	1.08Å	1.08Å
C11	CL2	sing	1.74Å	1.69Å
C3	C4	sing	1.41Å	1.38Å	Aromatic
CL3	C8	sing	1.74Å	1.70Å
C4	C5	doub	1.41Å	1.47Å	Aromatic
C4	N13	sing	1.35Å	1.37Å	Aromatic
C7	C6	doub	1.39Å	1.35Å	Aromatic
C6	C11	sing	1.38Å	1.39Å	Aromatic
C6	H6	sing	1.08Å	1.08Å
C7	C8	sing	1.39Å	1.39Å	Aromatic
C8	C9	doub	1.38Å	1.41Å	Aromatic
C9	C10	sing	1.38Å	1.40Å	Aromatic
C9	C24	sing	1.51Å	1.51Å
C11	C10	doub	1.38Å	1.39Å	Aromatic
C10	H10	sing	1.08Å	1.08Å
N12	N13	doub	1.29Å	1.36Å	Aromatic
C15	C14	sing	1.51Å	1.55Å
C14	H14	sing	1.09Å	1.10Å
C14	H14A	sing	1.09Å	1.10Å
N16	C15	sing	1.34Å	1.35Å	Aromatic
C15	C19	doub	1.38Å	1.45Å	Aromatic
N16	N17	sing	1.40Å	1.36Å	Aromatic
N17	C18	doub	1.32Å	1.34Å	Aromatic
C18	N20	sing	1.34Å	1.38Å	Aromatic
C18	C19	sing	1.47Å	1.42Å	Aromatic
C19	C23	sing	1.41Å	1.44Å	Aromatic
N20	C21	doub	1.31Å	1.40Å	Aromatic
C21	C22	sing	1.39Å	1.43Å	Aromatic
C21	H21	sing	1.08Å	1.08Å
C23	C22	doub	1.36Å	1.43Å	Aromatic
C22	H22	sing	1.08Å	1.08Å
C23	H23	sing	1.08Å	1.08Å
C24	N26	sing	1.47Å	1.46Å
C24	H24	sing	1.09Å	1.10Å
C24	H24A	sing	1.09Å	1.10Å
N26	HN26	sing	1.01Å	1.00Å
N26	HN2A	sing	1.01Å	1.00Å
N16	HN16	sing	0.97Å	1.00Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
C1	C	CL1	119.8°	119.7°
C1	C	C5	120.2°	120.5°
C	C1	C2	120.5°	120.5°
C	C1	H1	119.7°	119.8°
CL1	C	C5	120.0°	119.7°
C	C5	O	115.2°	120.2°
C	C5	C4	119.0°	119.7°
C14	N	C3	129.8°	126.8°
C14	N	N12	118.1°	126.8°
N	C14	C15	96.8°	109.5°
N	C14	H14	113.9°	109.5°
N	C14	H14A	113.9°	109.5°
C3	N	N12	111.6°	106.5°
N	C3	C2	134.7°	133.9°
N	C3	C4	104.2°	106.1°
N	N12	N13	105.3°	109.5°
C5	O	C7	118.2°	118.0°
O	C5	C4	125.8°	120.1°
O	C7	C6	120.5°	120.0°
O	C7	C8	120.1°	120.0°
C2	C1	H1	119.7°	119.7°
C1	C2	C3	119.7°	120.0°
C1	C2	H2	120.2°	120.0°
C3	C2	H2	120.2°	120.0°
C2	C3	C4	121.0°	120.0°
CL2	C11	C6	116.3°	119.9°
CL2	C11	C10	118.8°	120.0°
C3	C4	C5	119.4°	119.3°
C3	C4	N13	108.9°	107.7°
CL3	C8	C7	118.8°	120.1°
CL3	C8	C9	118.0°	120.1°
C5	C4	N13	131.7°	133.1°
C4	N13	N12	109.9°	110.3°
C7	C6	C11	117.9°	119.9°
C7	C6	H6	121.0°	120.0°
C6	C7	C8	119.4°	119.9°
C11	C6	H6	121.1°	120.0°
C6	C11	C10	124.8°	120.1°
C7	C8	C9	123.2°	119.9°
C8	C9	C10	117.5°	120.1°
C8	C9	C24	122.5°	119.9°
C10	C9	C24	120.0°	120.0°
C9	C10	C11	117.1°	120.1°
C9	C10	H10	121.4°	120.0°
C9	C24	N26	111.9°	109.5°
C9	C24	H24	108.6°	109.4°
C9	C24	H24A	108.7°	109.5°
C11	C10	H10	121.4°	119.9°
C15	C14	H14	113.9°	109.5°
C15	C14	H14A	113.9°	109.5°
C14	C15	N16	119.8°	126.1°
C14	C15	C19	130.7°	126.1°
H14	C14	H14A	104.7°	109.4°
N16	C15	C19	109.4°	107.8°
C15	N16	N17	105.9°	110.0°
C15	N16	HN16	127.0°	125.0°
C15	C19	C18	104.9°	106.5°
C15	C19	C23	139.5°	135.0°
N16	N17	C18	114.0°	109.1°
N17	N16	HN16	127.1°	125.0°
N17	C18	N20	126.9°	134.4°
N17	C18	C19	105.8°	106.6°
N20	C18	C19	127.3°	119.0°
C18	N20	C21	113.5°	121.2°
C18	C19	C23	115.6°	118.5°
C19	C23	C22	121.2°	118.1°
C19	C23	H23	119.3°	121.0°
N20	C21	C22	126.4°	122.6°
N20	C21	H21	116.8°	118.7°
C22	C21	H21	116.8°	118.7°
C21	C22	C23	116.0°	120.7°
C21	C22	H22	122.0°	119.7°
C23	C22	H22	122.1°	119.6°
C22	C23	H23	119.4°	121.0°
N26	C24	H24	108.7°	109.5°
N26	C24	H24A	108.6°	109.5°
C24	N26	HN26	109.5°	111.0°
C24	N26	HN2A	109.4°	111.0°
H24	C24	H24A	110.3°	109.4°
HN26	N26	HN2A	109.5°	111.1°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
C1	C	CL1	C5	179.1°	179.6°
C1	C	C5	O	176.1°	179.7°
C	C1	C2	H1	180.0°	180.0°
C	C1	C2	C3	4.2°	0.0°
C	C1	C2	H2	175.8°	180.0°
C1	C	C5	C4	3.8°	0.6°
CL1	C	C5	O	2.9°	0.0°
CL1	C	C1	C2	176.1°	180.0°
CL1	C	C1	H1	4.0°	0.1°
CL1	C	C5	C4	177.1°	179.7°
C	C5	O	C4	180.0°	179.7°
C	C5	O	C7	137.9°	90.0°
C5	C	C1	C2	4.9°	0.3°
C5	C	C1	H1	175.1°	179.7°
C	C5	C4	C3	2.3°	0.6°
C	C5	C4	N13	180.0°	179.8°
C14	N	C3	N12	172.5°	180.0°
C14	N	C3	C2	7.3°	0.1°
C14	N	C3	C4	172.3°	180.0°
C14	N	N12	N13	173.7°	180.0°
N	C14	C15	H14	120.0°	120.0°
N	C14	C15	H14A	120.0°	120.0°
N	C14	H14	H14A	125.1°	120.0°
N	C14	C15	N16	113.3°	94.7°
N	C14	C15	C19	62.5°	85.0°
N	C3	C2	C1	177.8°	179.9°
N	C3	C2	C4	179.6°	179.9°
N	C3	C2	H2	2.2°	0.1°
N	C3	C4	C5	178.7°	179.7°
N	C3	C4	N13	0.5°	0.0°
C3	N	N12	N13	0.2°	0.0°
C3	N	C14	C15	78.7°	95.4°
C3	N	C14	H14	161.3°	144.5°
C3	N	C14	H14A	41.3°	24.6°
N12	N	C3	C2	179.8°	180.0°
N12	N	C3	C4	0.2°	0.0°
N	N12	N13	C4	0.5°	0.0°
N12	N	C14	C15	93.4°	84.6°
N12	N	C14	H14	26.6°	35.5°
N12	N	C14	H14A	146.6°	155.4°
O	C5	C4	C3	177.7°	179.7°
O	C5	C4	N13	0.0°	0.1°
C5	O	C7	C6	69.1°	0.0°
C5	O	C7	C8	113.1°	180.0°
O	C7	C8	CL3	2.8°	0.0°
C7	O	C5	C4	42.0°	90.3°
O	C7	C6	C8	177.8°	180.0°
O	C7	C6	C11	176.2°	180.0°
O	C7	C6	H6	3.8°	0.3°
O	C7	C8	C9	177.5°	180.0°
C1	C2	C3	H2	180.0°	179.9°
C1	C2	C3	C4	2.6°	0.0°
H1	C1	C2	C3	175.8°	180.0°
H1	C1	C2	H2	4.2°	0.1°
C2	C3	C4	C5	1.6°	0.3°
C2	C3	C4	N13	179.8°	180.0°
H2	C2	C3	C4	177.4°	180.0°
CL2	C11	C6	C7	179.7°	179.7°
CL2	C11	C6	C10	178.0°	179.7°
CL2	C11	C6	H6	0.3°	0.0°
CL2	C11	C10	C9	179.4°	179.7°
CL2	C11	C10	H10	0.6°	0.3°
C3	C4	C5	N13	177.7°	179.6°
C3	C4	N13	N12	0.6°	0.0°
CL3	C8	C7	C6	179.4°	180.0°
CL3	C8	C7	C9	179.7°	180.0°
CL3	C8	C9	C10	179.8°	179.9°
CL3	C8	C9	C24	0.4°	0.0°
C5	C4	N13	N12	178.5°	179.7°
C7	C6	C11	H6	180.0°	179.7°
C6	C7	C8	C9	0.3°	0.0°
C7	C6	C11	C10	2.3°	0.0°
C11	C6	C7	C8	1.6°	0.0°
C6	C11	C10	C9	1.4°	0.0°
C6	C11	C10	H10	178.6°	180.0°
H6	C6	C7	C8	178.4°	179.7°
H6	C6	C11	C10	177.8°	179.7°
C7	C8	C9	C10	0.6°	0.0°
C7	C8	C9	C24	179.3°	180.0°
C8	C9	C10	C24	179.9°	180.0°
C8	C9	C10	C11	0.0°	0.0°
C8	C9	C10	H10	180.0°	180.0°
C8	C9	C24	N26	63.7°	80.0°
C8	C9	C24	H24	176.3°	160.0°
C8	C9	C24	H24A	56.3°	40.0°
C9	C10	C11	H10	180.0°	180.0°
C10	C9	C24	N26	116.4°	100.0°
C10	C9	C24	H24	3.6°	20.0°
C10	C9	C24	H24A	123.6°	139.9°
C24	C9	C10	C11	179.8°	180.0°
C24	C9	C10	H10	0.1°	0.0°
C9	C24	N26	H24	120.0°	120.0°
C9	C24	N26	H24A	120.0°	120.0°
C9	C24	H24	H24A	119.0°	119.9°
C9	C24	N26	HN26	180.0°	56.0°
C9	C24	N26	HN2A	60.0°	180.0°
C15	C14	H14	H14A	125.1°	120.0°
C14	C15	N16	C19	176.6°	179.7°
C14	C15	N16	N17	178.1°	180.0°
C14	C15	C19	C18	177.0°	179.9°
C14	C15	C19	C23	2.3°	0.1°
C14	C15	N16	HN16	1.9°	0.1°
H14	C14	C15	N16	126.7°	145.2°
H14	C14	C15	C19	57.6°	35.1°
H14A	C14	C15	N16	6.7°	25.2°
H14A	C14	C15	C19	177.5°	155.1°
C15	N16	N17	HN16	180.0°	179.9°
C15	N16	N17	C18	1.6°	0.0°
N16	C15	C19	C18	0.9°	0.3°
N16	C15	C19	C23	178.4°	179.7°
C19	C15	N16	N17	1.5°	0.2°
C15	C19	C18	N17	0.1°	0.3°
C15	C19	C18	N20	178.7°	179.8°
C15	C19	C18	C23	179.5°	180.0°
C15	C19	C23	C22	179.1°	179.2°
C15	C19	C23	H23	0.9°	0.1°
C19	C15	N16	HN16	178.5°	179.8°
N16	N17	C18	N20	177.7°	180.0°
N16	N17	C18	C19	1.1°	0.2°
N17	C18	N20	C19	178.5°	179.8°
N17	C18	C19	C23	179.6°	179.7°
N17	C18	N20	C21	178.4°	180.0°
C18	N17	N16	HN16	178.4°	179.9°
N20	C18	C19	C23	0.8°	0.2°
C18	N20	C21	C22	1.8°	0.1°
C18	N20	C21	H21	178.2°	180.0°
C19	C18	N20	C21	0.1°	0.2°
C18	C19	C23	C22	0.2°	0.8°
C18	C19	C23	H23	179.9°	179.9°
C19	C23	C22	C21	1.3°	1.0°
C19	C23	C22	H23	180.0°	179.1°
C19	C23	C22	H22	178.7°	179.7°
N20	C21	C22	H21	180.0°	179.9°
N20	C21	C22	C23	2.4°	0.7°
N20	C21	C22	H22	177.6°	180.0°
C21	C22	C23	H22	180.0°	179.3°
C21	C22	C23	H23	178.7°	179.9°
H21	C21	C22	C23	177.6°	179.4°
H21	C21	C22	H22	2.4°	0.1°
H22	C22	C23	H23	1.3°	0.5°
N26	C24	H24	H24A	119.0°	120.0°
C24	N26	HN26	HN2A	120.0°	123.9°
H24	C24	N26	HN26	60.0°	64.0°
H24	C24	N26	HN2A	180.0°	60.0°
H24A	C24	N26	HN26	60.0°	176.0°
H24A	C24	N26	HN2A	60.0°	60.0°

Definition date:	2011-07-22
Last modified:	2011-10-21
Release status:	REL
Processing site:	RCSB
Derived from:	3T19